SCHEMBL6319673

SCHEMBL6319673

Cc1ccc(S(=O)(=O)N2CC[C@@H](CO)[C@@H]2c2ccc(F)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
PAX8 Q06710 8/20 0.43
GLA P06280 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
FKBP1A P62942 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6311974 1.00 TRPA1 (0.43) TRPA1PAX8GLAPTGDR2LMNA
SCHEMBL6311968 1.00 TRPA1 (0.43) TRPA1PAX8GLAPTGDR2LMNA
SCHEMBL7564357 0.85 TRPA1 (0.53) TRPA1PAX8GLALMNAMAPT
SCHEMBL6310767 0.83 GLA (0.45) TRPA1GLAPTGDR2LMNAMAPT
SCHEMBL6319715 0.83 GLA (0.45) TRPA1GLAPTGDR2LMNAMAPT
SCHEMBL6319712 0.83 GLA (0.45) TRPA1GLAPTGDR2LMNAMAPT
SCHEMBL6309688 0.81 ALDH1A1 (0.49) TRPA1GLAPTGDR2LMNAMAPT
SCHEMBL6309694 0.81 ALDH1A1 (0.49) TRPA1GLAPTGDR2LMNAMAPT
SCHEMBL5769625 0.75 TACR1 (0.42) PAX8
SCHEMBL5747031 0.75 TACR1 (0.42) PAX8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153951-A1 Neurotrophic pyrrolidines and piperidines, and related compositions and methods KANOJIA RAMESH M (US) 2005-07-14 US disclosed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US disclosed
US-6809107-B1 NEURODEGENERATIVE DISEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-10-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 TRPA1 94/4885PAX8 2522/4885GLA 4644/4885
US-20050153951-A1 Neurotrophic pyrrolidines and piperidines, and related compositions and methods BDNF, NTRK2, NGF TRPA1 448/4885PAX8 1111/4885GLA 3224/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.